1-(4-anilino-2-methoxyphenyl)-3-methylurea

C15H17N3O2 — CID 110178450

IUPAC1-(4-anilino-2-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Nc2ccccc2)cc1OC
InChIInChI=1S/C15H17N3O2/c1-16-15(19)18-13-9-8-12(10-14(13)20-2)17-11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H2,16,18,19)
InChIKeyYNDVRXJAYYVRMI-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.19
Rot. Bonds4

About 1-(4-anilino-2-methoxyphenyl)-3-methylurea

1-(4-anilino-2-methoxyphenyl)-3-methylurea (PubChem CID 110178450) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-anilino-2-methoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-anilino-2-methoxyphenyl)-3-methylurea
PubChem CID110178450
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(4-anilino-2-methoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(Nc2ccccc2)cc1OC
InChIInChI=1S/C15H17N3O2/c1-16-15(19)18-13-9-8-12(10-14(13)20-2)17-11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H2,16,18,19)
InChIKeyYNDVRXJAYYVRMI-UHFFFAOYSA-N
XLogP3.19
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
CID 110179453
1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
CID 154558823
3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
CID 57321576
1-[1-(2-amino-2-methylpropyl)indol-5-yl]-3-(4-anilino-2-methoxyphenyl)urea
CID 91566130
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
N-(4-anilino-2-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047863
2-methoxy-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 58730700
1-(5-hydroxy-2,4-dimethoxyphenyl)-3-phenylurea
CID 22099500
1-(4-anilino-3-methanimidoylphenyl)-3-methylurea
CID 139442921
methyl N-(4-anilino-2-methoxyphenyl)iminocarbamate
CID 155908090
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-2-methoxyphenyl)-3-methylurea?
The IUPAC name of 1-(4-anilino-2-methoxyphenyl)-3-methylurea (CID 110178450) is 1-(4-anilino-2-methoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(4-anilino-2-methoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(4-anilino-2-methoxyphenyl)-3-methylurea is CNC(=O)Nc1ccc(Nc2ccccc2)cc1OC.
What is the InChIKey of 1-(4-anilino-2-methoxyphenyl)-3-methylurea?
The InChIKey is YNDVRXJAYYVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-15(19)18-13-9-8-12(10-14(13)20-2)17-11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H2,16,18,19).
What are the key properties of 1-(4-anilino-2-methoxyphenyl)-3-methylurea?
1-(4-anilino-2-methoxyphenyl)-3-methylurea has a molecular weight of 271.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-2-methoxyphenyl)-3-methylurea is sourced from PubChem (CID 110178450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).